Ugly Alpha 1
openmm-sys:7.4.1

total uncompressed bytes

37.3 MB

total files

1418

Fix

EnrichedExclude { exclude: [ "openmm/wrappers/python", "**/*.jpg", "**/*.png", "**/doc/**/*", "**/tests/**/*", "**/example/**/*", ], exclude_added: [ "**/*.jpg", "**/*.png", "**/doc/**/*", "**/tests/**/*", "**/example/**/*", ], has_build_script: true, }

314 wasted files

total waste: 5.5 MB

  1. openmm/plugins/amoeba/platforms/reference/tests/TestReferenceAmoebaGeneralizedKirkwoodForce.cpp : 562.5 KB
  2. openmm/plugins/amoeba/platforms/cuda/tests/TestCudaAmoebaGeneralizedKirkwoodForce.cpp : 562.5 KB
  3. openmm/plugins/amoeba/platforms/reference/tests/TestReferenceAmoebaTorsionTorsionForce.cpp : 275.4 KB
  4. openmm/plugins/amoeba/platforms/cuda/tests/TestCudaAmoebaTorsionTorsionForce.cpp : 275.3 KB
  5. openmm/docs-source/images/VisualStudioLaunch.jpg : 225.3 KB
  6. openmm/plugins/amoeba/platforms/cuda/tests/TestCudaAmoebaMultipoleForce.cpp : 212.9 KB
  7. openmm/plugins/amoeba/platforms/reference/tests/TestReferenceAmoebaMultipoleForce.cpp : 201.8 KB
  8. openmm/docs-source/images/OpenMMSetup.png : 153.3 KB
  9. openmm/plugins/amoeba/platforms/cuda/tests/TestCudaAmoebaVdwForce.cpp : 147.6 KB
  10. openmm/plugins/amoeba/platforms/reference/tests/TestReferenceAmoebaVdwForce.cpp : 146.4 KB
  11. openmm/docs-source/images/EnergyDrift.png : 133.1 KB
  12. openmm/tests/TestDispersionPME.h : 112.8 KB
  13. openmm/plugins/amoeba/platforms/cuda/tests/TestCudaHippoNonbondedForce.cpp : 99.3 KB
  14. openmm/plugins/amoeba/platforms/reference/tests/TestReferenceHippoNonbondedForce.cpp : 98.8 KB
  15. openmm/docs-source/images/VisualStudioSetConfiguration.jpg : 90.1 KB
  16. openmm/libraries/irrxml/doc/irrXML.chm : 64.0 KB
  17. openmm/docs-source/images/SystemContextRelationships.jpg : 58.8 KB
  18. openmm/tests/TestCustomNonbondedForce.h : 53.9 KB
  19. openmm/tests/nacl_crystal.dat : 50.9 KB
  20. openmm/docs-source/images/ArchitectureLayers.jpg : 49.2 KB
  21. openmm/tests/nacl_amorph.dat : 45.5 KB
  22. openmm/tests/TestCustomIntegrator.h : 45.4 KB
  23. openmm/tests/TestNonbondedForce.h : 35.8 KB
  24. openmm/docs-source/api-python/_static/logo.png : 33.7 KB
  25. openmm/docs-source/api-c++/_static/logo.png : 33.7 KB
  26. openmm/docs-source/images/Argon.png : 33.5 KB
  27. openmm/tests/TestCustomManyParticleForce.h : 32.1 KB
  28. openmm/plugins/cpupme/tests/TestCpuPme.cpp : 28.6 KB
  29. openmm/tests/TestCustomGBForce.h : 26.1 KB
  30. openmm/plugins/amoeba/platforms/cuda/tests/TestCudaAmoebaExtrapolatedPolarization.cpp : 24.0 KB
  31. openmm/plugins/rpmd/platforms/opencl/tests/TestOpenCLRpmd.cpp : 24.0 KB
  32. openmm/plugins/rpmd/platforms/cuda/tests/TestCudaRpmd.cpp : 23.9 KB
  33. openmm/plugins/amoeba/platforms/reference/tests/TestReferenceAmoebaExtrapolatedPolarization.cpp : 23.7 KB
  34. openmm/tests/TestMonteCarloAnisotropicBarostat.h : 21.6 KB
  35. openmm/plugins/amoeba/platforms/reference/tests/TestReferenceAmoebaOutOfPlaneBendForce.cpp : 21.1 KB
  36. openmm/plugins/amoeba/platforms/cuda/tests/TestCudaAmoebaOutOfPlaneBendForce.cpp : 20.8 KB
  37. openmm/tests/TestVirtualSites.h : 20.3 KB
  38. openmm/tests/TestCustomCompoundBondForce.h : 19.3 KB
  39. openmm/tests/TestEwald.h : 18.8 KB
  40. openmm/plugins/rpmd/platforms/reference/tests/TestReferenceRpmd.cpp : 18.3 KB
  41. openmm/plugins/amoeba/platforms/reference/tests/TestReferenceAmoebaInPlaneAngleForce.cpp : 16.5 KB
  42. openmm/plugins/amoeba/platforms/cuda/tests/TestCudaAmoebaInPlaneAngleForce.cpp : 16.3 KB
  43. openmm/tests/TestCustomCentroidBondForce.h : 15.5 KB
  44. openmm/plugins/amoeba/platforms/reference/tests/TestReferenceAmoebaAngleForce.cpp : 14.1 KB
  45. openmm/plugins/amoeba/platforms/cuda/tests/TestCudaAmoebaAngleForce.cpp : 14.0 KB
  46. openmm/plugins/amoeba/platforms/reference/tests/TestReferenceAmoebaPiTorsionForce.cpp : 14.0 KB
  47. openmm/plugins/amoeba/platforms/cuda/tests/TestCudaAmoebaPiTorsionForce.cpp : 13.9 KB
  48. openmm/tests/TestVectorize8.cpp : 13.5 KB
  49. openmm/tests/TestCustomHbondForce.h : 13.5 KB
  50. openmm/plugins/amoeba/platforms/reference/tests/TestReferenceAmoebaStretchBendForce.cpp : 13.2 KB
  51. openmm/tests/TestGBSAOBCForce.h : 13.2 KB
  52. openmm/plugins/amoeba/platforms/cuda/tests/TestCudaAmoebaStretchBendForce.cpp : 13.0 KB
  53. openmm/tests/TestParser.cpp : 12.9 KB
  54. openmm/serialization/tests/TestSerializeIntegrator.cpp : 12.9 KB
  55. openmm/tests/TestVariableLangevinIntegrator.h : 12.8 KB
  56. openmm/tests/TestVariableVerletIntegrator.h : 12.7 KB
  57. openmm/tests/TestGayBerneForce.h : 12.2 KB
  58. openmm/tests/TestMonteCarloBarostat.h : 12.1 KB
  59. openmm/tests/TestCustomTorsionForce.h : 11.6 KB
  60. openmm/plugins/drude/platforms/opencl/tests/TestOpenCLDrudeLangevinIntegrator.cpp : 11.4 KB
  61. openmm/plugins/drude/platforms/cuda/tests/TestCudaDrudeLangevinIntegrator.cpp : 11.4 KB
  62. openmm/plugins/drude/platforms/reference/tests/TestReferenceDrudeLangevinIntegrator.cpp : 11.3 KB
  63. openmm/tests/TestLangevinIntegrator.h : 11.0 KB
  64. openmm/plugins/amoeba/platforms/reference/tests/TestReferenceAmoebaBondForce.cpp : 10.9 KB
  65. openmm/plugins/amoeba/platforms/cuda/tests/TestCudaAmoebaBondForce.cpp : 10.8 KB
  66. openmm/tests/TestBrownianIntegrator.h : 10.5 KB
  67. openmm/tests/TestLocalEnergyMinimizer.h : 10.4 KB
  68. openmm/tests/TestCustomCVForce.h : 10.3 KB
  69. openmm/tests/TestVerletIntegrator.h : 10.3 KB
  70. openmm/tests/TestCustomExternalForce.h : 10.2 KB
  71. openmm/tests/TestCompoundIntegrator.h : 10.0 KB
  72. openmm/tests/TestCustomBondForce.h : 9.8 KB
  73. openmm/tests/TestCustomAngleForce.h : 9.7 KB
  74. openmm/plugins/amoeba/serialization/tests/TestSerializeAmoebaMultipoleForce.cpp : 9.7 KB
  75. openmm/tests/TestCMAPTorsionForce.h : 9.7 KB
  76. openmm/tests/TestFindExclusions.cpp : 9.6 KB
  77. openmm/tests/TestVectorize.cpp : 9.6 KB
  78. openmm/plugins/amoeba/platforms/reference/tests/TestReferenceWcaDispersionForce.cpp : 9.5 KB
  79. openmm/plugins/amoeba/platforms/cuda/tests/TestCudaWcaDispersionForce.cpp : 9.4 KB
  80. openmm/platforms/reference/tests/TestReferenceMonteCarloMembraneBarostat.cpp : 9.2 KB
  81. openmm/serialization/tests/TestSerializeTabulatedFunctions.cpp : 9.0 KB
  82. openmm/plugins/drude/platforms/opencl/tests/TestOpenCLDrudeForce.cpp : 8.8 KB
  83. openmm/plugins/drude/platforms/cuda/tests/TestCudaDrudeForce.cpp : 8.8 KB
  84. openmm/plugins/drude/platforms/reference/tests/TestReferenceDrudeForce.cpp : 8.8 KB
  85. openmm/tests/TestAndersenThermostat.h : 8.4 KB
  86. openmm/plugins/amoeba/serialization/tests/TestSerializeHippoNonbondedForce.cpp : 8.3 KB
  87. openmm/serialization/tests/TestSerializeNonbondedForce.cpp : 8.1 KB
  88. openmm/tests/TestSplineFitter.cpp : 8.0 KB
  89. openmm/platforms/cuda/tests/TestCudaNonbondedForce.cpp : 7.8 KB
  90. openmm/serialization/tests/TestSerializeState.cpp : 7.7 KB
  91. openmm/tests/TestRMSDForce.h : 7.7 KB
  92. openmm/serialization/tests/TestSerializeCustomCentroidBondForce.cpp : 7.7 KB
  93. openmm/serialization/tests/TestSerializeCustomGBForce.cpp : 7.6 KB
  94. openmm/tests/TestRBTorsionForce.h : 7.5 KB
  95. openmm/serialization/tests/TestSerializeCustomNonbondedForce.cpp : 7.4 KB
  96. openmm/serialization/tests/TestSerializeCustomHbondForce.cpp : 7.4 KB
  97. openmm/serialization/tests/TestSerializeSystem.cpp : 7.2 KB
  98. openmm/serialization/tests/TestSerializeCustomManyParticleForce.cpp : 7.0 KB
  99. openmm/platforms/reference/tests/TestReferenceNeighborList.cpp : 7.0 KB
  100. openmm/plugins/drude/platforms/opencl/tests/TestOpenCLDrudeSCFIntegrator.cpp : 7.0 KB
  101. openmm/plugins/drude/platforms/cuda/tests/TestCudaDrudeSCFIntegrator.cpp : 7.0 KB
  102. openmm/platforms/opencl/tests/TestOpenCLCheckpoints.cpp : 6.9 KB
  103. openmm/platforms/cuda/tests/TestCudaCheckpoints.cpp : 6.9 KB
  104. openmm/platforms/opencl/tests/TestOpenCLVirtualSites.cpp : 6.8 KB
  105. openmm/platforms/cuda/tests/TestCudaVirtualSites.cpp : 6.8 KB
  106. openmm/serialization/tests/TestSerializeCustomCompoundBondForce.cpp : 6.8 KB
  107. openmm/tests/TestHarmonicAngleForce.h : 6.8 KB
  108. openmm/plugins/drude/platforms/reference/tests/TestReferenceDrudeSCFIntegrator.cpp : 6.7 KB
  109. openmm/plugins/amoeba/serialization/tests/TestSerializeAmoebaTorsionTorsionForce.cpp : 6.7 KB
  110. openmm/tests/TestPeriodicTorsionForce.h : 6.7 KB
  111. openmm/platforms/cuda/tests/TestCudaFFT3D.cpp : 6.6 KB
  112. openmm/platforms/cuda/tests/TestCudaRandom.cpp : 6.5 KB
  113. openmm/platforms/cpu/tests/TestCpuNeighborList.cpp : 6.4 KB
  114. openmm/platforms/opencl/tests/TestOpenCLNonbondedForce.cpp : 6.4 KB
  115. openmm/platforms/opencl/tests/TestOpenCLFFT.cpp : 6.3 KB
  116. openmm/platforms/opencl/tests/TestOpenCLRandom.cpp : 6.2 KB
  117. openmm/platforms/opencl/tests/TestOpenCLDeviceQuery.cpp : 6.2 KB
  118. openmm/tests/TestCheckpoints.h : 6.1 KB
  119. openmm/serialization/tests/TestSerializeCustomCVForce.cpp : 6.0 KB
  120. openmm/tests/TestHarmonicBondForce.h : 5.8 KB
  121. openmm/plugins/amoeba/serialization/tests/TestSerializeAmoebaVdwForce.cpp : 5.7 KB
  122. openmm/platforms/cuda/tests/TestCudaSort.cpp : 5.6 KB
  123. openmm/serialization/tests/TestSerializeGayBerneForce.cpp : 5.5 KB
  124. openmm/serialization/tests/TestSerializeCustomTorsionForce.cpp : 5.5 KB
  125. openmm/platforms/reference/tests/TestReferenceCheckpoints.cpp : 5.4 KB
  126. openmm/platforms/cpu/tests/TestCpuCheckpoints.cpp : 5.4 KB
  127. openmm/tests/TestSettle.h : 5.4 KB
  128. openmm/serialization/tests/TestSerializeCustomAngleForce.cpp : 5.4 KB
  129. openmm/serialization/tests/TestSerializeCustomBondForce.cpp : 5.3 KB
  130. openmm/platforms/opencl/tests/TestOpenCLSort.cpp : 5.3 KB
  131. openmm/platforms/reference/tests/TestReferenceRandom.cpp : 5.3 KB
  132. openmm/platforms/opencl/tests/TestOpenCLMultipleForces.cpp : 5.2 KB
  133. openmm/tests/TestCMMotionRemover.h : 5.2 KB
  134. openmm/platforms/cuda/tests/TestCudaMultipleForces.cpp : 5.2 KB
  135. openmm/tests/TestSystem.cpp : 5.2 KB
  136. openmm/platforms/opencl/tests/TestOpenCLCustomIntegrator.cpp : 5.2 KB
  137. openmm/platforms/cuda/tests/TestCudaCustomIntegrator.cpp : 5.2 KB
  138. openmm/serialization/tests/TestSerializeCMAPTorsion.cpp : 5.1 KB
  139. openmm/plugins/amoeba/serialization/tests/TestSerializeAmoebaOutOfPlaneBendForce.cpp : 5.1 KB
  140. openmm/plugins/amoeba/serialization/tests/TestSerializeAmoebaInPlaneAngleForce.cpp : 5.1 KB
  141. openmm/plugins/amoeba/serialization/tests/TestSerializeAmoebaGeneralizedKirkwoodForce.cpp : 5.0 KB
  142. openmm/serialization/tests/TestSerializeCustomExternalForce.cpp : 4.9 KB
  143. openmm/tests/TestEnforcePeriodicBox.cpp : 4.9 KB
  144. openmm/plugins/amoeba/serialization/tests/TestSerializeAmoebaAngleForce.cpp : 4.9 KB
  145. openmm/plugins/drude/serialization/tests/TestSerializeDrudeForce.cpp : 4.8 KB
  146. openmm/plugins/amoeba/serialization/tests/TestSerializeAmoebaWcaDispersionForce.cpp : 4.8 KB
  147. openmm/libraries/irrxml/example/irrXML.dsp : 4.7 KB
  148. openmm/plugins/amoeba/serialization/tests/TestSerializeAmoebaStretchBendForce.cpp : 4.7 KB
  149. openmm/plugins/cudacompiler/tests/TestCudaCompiler.cpp : 4.6 KB
  150. openmm/serialization/tests/TestSerializeGBSAOBCForce.cpp : 4.5 KB
  151. openmm/plugins/amoeba/serialization/tests/TestSerializeAmoebaBondForce.cpp : 4.5 KB
  152. openmm/plugins/amoeba/serialization/tests/TestSerializeAmoebaPiTorsionForce.cpp : 4.5 KB
  153. openmm/serialization/tests/TestSerializeRBTorsionForce.cpp : 4.4 KB
  154. openmm/serialization/tests/TestSerializePeriodicTorsionForce.cpp : 4.3 KB
  155. openmm/platforms/opencl/tests/TestOpenCLCustomNonbondedForce.cpp : 4.2 KB
  156. openmm/platforms/cuda/tests/TestCudaCustomNonbondedForce.cpp : 4.2 KB
  157. openmm/serialization/tests/TestSerializeHarmonicAngleForce.cpp : 4.1 KB
  158. openmm/serialization/tests/TestSerializeHarmonicBondForce.cpp : 4.0 KB
  159. openmm/tests/TestFindMolecules.cpp : 4.0 KB
  160. openmm/serialization/tests/TestSerializeMonteCarloMembraneBarostat.cpp : 4.0 KB
  161. openmm/serialization/tests/TestSerializationNode.cpp : 4.0 KB
  162. openmm/serialization/tests/TestSerializeRMSDForce.cpp : 4.0 KB
  163. openmm/platforms/opencl/tests/TestOpenCLCustomExternalForce.cpp : 4.0 KB
  164. openmm/platforms/cuda/tests/TestCudaCustomExternalForce.cpp : 4.0 KB
  165. openmm/serialization/tests/TestSerializeMonteCarloAnisotropicBarostat.cpp : 4.0 KB
  166. openmm/platforms/opencl/tests/TestOpenCLCustomCompoundBondForce.cpp : 4.0 KB
  167. openmm/platforms/cuda/tests/TestCudaCustomCompoundBondForce.cpp : 4.0 KB
  168. openmm/platforms/opencl/tests/TestOpenCLCustomTorsionForce.cpp : 3.9 KB
  169. openmm/plugins/drude/serialization/tests/TestSerializeDrudeLangevinIntegrator.cpp : 3.9 KB
  170. openmm/platforms/cuda/tests/TestCudaCustomTorsionForce.cpp : 3.9 KB
  171. openmm/platforms/opencl/tests/TestOpenCLCustomAngleForce.cpp : 3.8 KB
  172. openmm/platforms/cuda/tests/TestCudaCustomAngleForce.cpp : 3.8 KB
  173. openmm/platforms/opencl/tests/TestOpenCLCustomBondForce.cpp : 3.8 KB
  174. openmm/platforms/opencl/tests/TestOpenCLPeriodicTorsionForce.cpp : 3.8 KB
  175. openmm/platforms/opencl/tests/TestOpenCLHarmonicAngleForce.cpp : 3.8 KB
  176. openmm/platforms/opencl/tests/TestOpenCLRBTorsionForce.cpp : 3.8 KB
  177. openmm/platforms/cuda/tests/TestCudaCustomBondForce.cpp : 3.8 KB
  178. openmm/platforms/cuda/tests/TestCudaPeriodicTorsionForce.cpp : 3.8 KB
  179. openmm/platforms/cuda/tests/TestCudaHarmonicAngleForce.cpp : 3.8 KB
  180. openmm/platforms/cuda/tests/TestCudaRBTorsionForce.cpp : 3.8 KB
  181. openmm/platforms/opencl/tests/TestOpenCLHarmonicBondForce.cpp : 3.8 KB
  182. openmm/platforms/cuda/tests/TestCudaHarmonicBondForce.cpp : 3.8 KB
  183. openmm/platforms/reference/tests/TestReferenceKineticEnergy.cpp : 3.8 KB
  184. openmm/tests/TestVectorExpression.cpp : 3.7 KB
  185. openmm/serialization/tests/TestSerializeMonteCarloBarostat.cpp : 3.7 KB
  186. openmm/platforms/cpu/tests/TestCpuPeriodicTorsionForce.cpp : 3.6 KB
  187. openmm/serialization/tests/TestSerializeAndersenThermostat.cpp : 3.6 KB
  188. openmm/platforms/cpu/tests/TestCpuRBTorsionForce.cpp : 3.6 KB
  189. openmm/platforms/cpu/tests/TestCpuHarmonicAngleForce.cpp : 3.6 KB
  190. openmm/libraries/irrxml/example/irrxml.vcproj : 3.5 KB
  191. openmm/serialization/tests/TestSerializeCMMotionRemover.cpp : 3.4 KB
  192. openmm/platforms/opencl/tests/OpenCLTests.h : 2.9 KB
  193. openmm/platforms/cpu/tests/CpuTests.h : 2.8 KB
  194. openmm/platforms/cuda/tests/CudaTests.h : 2.7 KB
  195. openmm/platforms/reference/tests/ReferenceTests.h : 2.6 KB
  196. openmm/platforms/opencl/tests/TestOpenCLMonteCarloBarostat.cpp : 2.5 KB
  197. openmm/platforms/cuda/tests/TestCudaMonteCarloBarostat.cpp : 2.5 KB
  198. openmm/platforms/reference/tests/TestReferenceMonteCarloAnisotropicBarostat.cpp : 2.5 KB
  199. openmm/platforms/opencl/tests/has_opencl_gpu.c : 2.5 KB
  200. openmm/platforms/reference/tests/TestReferenceVariableLangevinIntegrator.cpp : 2.5 KB
  201. openmm/platforms/opencl/tests/TestOpenCLMonteCarloAnisotropicBarostat.cpp : 2.5 KB
  202. openmm/platforms/reference/tests/TestReferenceVariableVerletIntegrator.cpp : 2.5 KB
  203. openmm/platforms/cuda/tests/TestCudaMonteCarloAnisotropicBarostat.cpp : 2.5 KB
  204. openmm/platforms/reference/tests/TestReferenceCustomManyParticleForce.cpp : 2.5 KB
  205. openmm/platforms/reference/tests/TestReferenceCustomCompoundBondForce.cpp : 2.5 KB
  206. openmm/platforms/reference/tests/TestReferenceCustomCentroidBondForce.cpp : 2.5 KB
  207. openmm/platforms/opencl/tests/TestOpenCLVariableLangevinIntegrator.cpp : 2.5 KB
  208. openmm/platforms/opencl/tests/TestOpenCLVariableVerletIntegrator.cpp : 2.5 KB
  209. openmm/platforms/cuda/tests/TestCudaVariableLangevinIntegrator.cpp : 2.5 KB
  210. openmm/platforms/reference/tests/TestReferencePeriodicTorsionForce.cpp : 2.5 KB
  211. openmm/platforms/reference/tests/TestReferenceLocalEnergyMinimizer.cpp : 2.5 KB
  212. openmm/platforms/reference/tests/TestReferenceCustomNonbondedForce.cpp : 2.5 KB
  213. openmm/platforms/opencl/tests/TestOpenCLCustomManyParticleForce.cpp : 2.5 KB
  214. openmm/platforms/opencl/tests/TestOpenCLCustomCentroidBondForce.cpp : 2.5 KB
  215. openmm/platforms/reference/tests/TestReferenceCustomExternalForce.cpp : 2.5 KB
  216. openmm/platforms/cuda/tests/TestCudaVariableVerletIntegrator.cpp : 2.5 KB
  217. openmm/platforms/reference/tests/TestReferenceMonteCarloBarostat.cpp : 2.5 KB
  218. openmm/platforms/reference/tests/TestReferenceLangevinIntegrator.cpp : 2.5 KB
  219. openmm/platforms/reference/tests/TestReferenceHarmonicAngleForce.cpp : 2.5 KB
  220. openmm/platforms/reference/tests/TestReferenceCustomTorsionForce.cpp : 2.5 KB
  221. openmm/platforms/reference/tests/TestReferenceCompoundIntegrator.cpp : 2.5 KB
  222. openmm/platforms/reference/tests/TestReferenceBrownianIntegrator.cpp : 2.5 KB
  223. openmm/platforms/reference/tests/TestReferenceAndersenThermostat.cpp : 2.5 KB
  224. openmm/platforms/cuda/tests/TestCudaCustomManyParticleForce.cpp : 2.5 KB
  225. openmm/platforms/cuda/tests/TestCudaCustomCentroidBondForce.cpp : 2.5 KB
  226. openmm/platforms/reference/tests/TestReferenceHarmonicBondForce.cpp : 2.5 KB
  227. openmm/platforms/reference/tests/TestReferenceCustomAngleForce.cpp : 2.5 KB
  228. openmm/platforms/opencl/tests/TestOpenCLLocalEnergyMinimizer.cpp : 2.5 KB
  229. openmm/platforms/cpu/tests/TestCpuCustomManyParticleForce.cpp : 2.5 KB
  230. openmm/platforms/reference/tests/TestReferenceVerletIntegrator.cpp : 2.5 KB
  231. openmm/platforms/reference/tests/TestReferenceCustomIntegrator.cpp : 2.5 KB
  232. openmm/platforms/reference/tests/TestReferenceCustomHbondForce.cpp : 2.5 KB
  233. openmm/platforms/reference/tests/TestReferenceCustomBondForce.cpp : 2.5 KB
  234. openmm/platforms/reference/tests/TestReferenceCMAPTorsionForce.cpp : 2.5 KB
  235. openmm/platforms/reference/tests/TestReferenceCMMotionRemover.cpp : 2.5 KB
  236. openmm/platforms/opencl/tests/TestOpenCLLangevinIntegrator.cpp : 2.5 KB
  237. openmm/platforms/opencl/tests/TestOpenCLCompoundIntegrator.cpp : 2.5 KB
  238. openmm/platforms/opencl/tests/TestOpenCLBrownianIntegrator.cpp : 2.5 KB
  239. openmm/platforms/opencl/tests/TestOpenCLAndersenThermostat.cpp : 2.5 KB
  240. openmm/platforms/cuda/tests/TestCudaLocalEnergyMinimizer.cpp : 2.5 KB
  241. openmm/platforms/reference/tests/TestReferenceRBTorsionForce.cpp : 2.5 KB
  242. openmm/platforms/reference/tests/TestReferenceNonbondedForce.cpp : 2.5 KB
  243. openmm/platforms/cpu/tests/TestCpuCustomNonbondedForce.cpp : 2.5 KB
  244. openmm/platforms/reference/tests/TestReferenceGayBerneForce.cpp : 2.5 KB
  245. openmm/platforms/reference/tests/TestReferenceDispersionPME.cpp : 2.5 KB
  246. openmm/platforms/reference/tests/TestReferenceCustomGBForce.cpp : 2.5 KB
  247. openmm/platforms/reference/tests/TestReferenceCustomCVForce.cpp : 2.5 KB
  248. openmm/platforms/opencl/tests/TestOpenCLVerletIntegrator.cpp : 2.5 KB
  249. openmm/platforms/opencl/tests/TestOpenCLCustomHbondForce.cpp : 2.5 KB
  250. openmm/platforms/opencl/tests/TestOpenCLCMAPTorsionForce.cpp : 2.5 KB
  251. openmm/platforms/cuda/tests/TestCudaLangevinIntegrator.cpp : 2.5 KB
  252. openmm/platforms/cuda/tests/TestCudaCompoundIntegrator.cpp : 2.5 KB
  253. openmm/platforms/cuda/tests/TestCudaBrownianIntegrator.cpp : 2.5 KB
  254. openmm/platforms/cuda/tests/TestCudaAndersenThermostat.cpp : 2.5 KB
  255. openmm/platforms/reference/tests/TestReferenceVirtualSites.cpp : 2.5 KB
  256. openmm/platforms/reference/tests/TestReferenceGBSAOBCForce.cpp : 2.5 KB
  257. openmm/platforms/opencl/tests/TestOpenCLCMMotionRemover.cpp : 2.5 KB
  258. openmm/platforms/cpu/tests/TestCpuLangevinIntegrator.cpp : 2.5 KB
  259. openmm/platforms/cpu/tests/TestCpuCompoundIntegrator.cpp : 2.5 KB
  260. openmm/platforms/cuda/tests/TestCudaVerletIntegrator.cpp : 2.5 KB
  261. openmm/platforms/cuda/tests/TestCudaCustomHbondForce.cpp : 2.5 KB
  262. openmm/platforms/cuda/tests/TestCudaCMAPTorsionForce.cpp : 2.5 KB
  263. openmm/platforms/opencl/tests/TestOpenCLGayBerneForce.cpp : 2.5 KB
  264. openmm/platforms/opencl/tests/TestOpenCLDispersionPME.cpp : 2.5 KB
  265. openmm/platforms/opencl/tests/TestOpenCLCustomGBForce.cpp : 2.5 KB
  266. openmm/platforms/opencl/tests/TestOpenCLCustomCVForce.cpp : 2.5 KB
  267. openmm/platforms/cuda/tests/TestCudaCMMotionRemover.cpp : 2.5 KB
  268. openmm/platforms/reference/tests/TestReferenceRMSDForce.cpp : 2.5 KB
  269. openmm/platforms/opencl/tests/TestOpenCLGBSAOBCForce.cpp : 2.5 KB
  270. openmm/platforms/cuda/tests/TestCudaGayBerneForce.cpp : 2.5 KB
  271. openmm/platforms/cuda/tests/TestCudaDispersionPME.cpp : 2.5 KB
  272. openmm/platforms/cuda/tests/TestCudaCustomGBForce.cpp : 2.5 KB
  273. openmm/platforms/cuda/tests/TestCudaCustomCVForce.cpp : 2.5 KB
  274. openmm/platforms/cpu/tests/TestCpuNonbondedForce.cpp : 2.5 KB
  275. openmm/platforms/cpu/tests/TestCpuDispersionPME.cpp : 2.5 KB
  276. openmm/platforms/cuda/tests/TestCudaGBSAOBCForce.cpp : 2.5 KB
  277. openmm/platforms/cpu/tests/TestCpuGayBerneForce.cpp : 2.5 KB
  278. openmm/platforms/cpu/tests/TestCpuCustomGBForce.cpp : 2.5 KB
  279. openmm/platforms/reference/tests/TestReferenceSettle.cpp : 2.5 KB
  280. openmm/platforms/opencl/tests/TestOpenCLRMSDForce.cpp : 2.5 KB
  281. openmm/platforms/cpu/tests/TestCpuGBSAOBCForce.cpp : 2.5 KB
  282. openmm/platforms/reference/tests/TestReferenceEwald.cpp : 2.5 KB
  283. openmm/platforms/cuda/tests/TestCudaRMSDForce.cpp : 2.5 KB
  284. openmm/platforms/opencl/tests/TestOpenCLSettle.cpp : 2.5 KB
  285. openmm/platforms/opencl/tests/TestOpenCLEwald.cpp : 2.5 KB
  286. openmm/platforms/cuda/tests/TestCudaSettle.cpp : 2.5 KB
  287. openmm/platforms/cuda/tests/TestCudaEwald.cpp : 2.5 KB
  288. openmm/platforms/cpu/tests/TestCpuSettle.cpp : 2.5 KB
  289. openmm/platforms/cpu/tests/TestCpuEwald.cpp : 2.5 KB
  290. openmm/platforms/opencl/tests/CMakeLists.txt : 2.3 KB
  291. openmm/platforms/cuda/tests/CMakeLists.txt : 1.5 KB
  292. openmm/libraries/irrxml/example/irrXML.dev : 1.4 KB
  293. openmm/plugins/amoeba/platforms/cuda/tests/CMakeLists.txt : 1.1 KB
  294. openmm/plugins/drude/platforms/cuda/tests/CMakeLists.txt : 1.1 KB
  295. openmm/plugins/rpmd/platforms/cuda/tests/CMakeLists.txt : 1.1 KB
  296. openmm/tests/CMakeLists.txt : 1.1 KB
  297. openmm/platforms/cpu/tests/CMakeLists.txt : 978 B
  298. openmm/libraries/irrxml/example/test.cpp : 938 B
  299. openmm/plugins/drude/platforms/opencl/tests/CMakeLists.txt : 930 B
  300. openmm/plugins/rpmd/platforms/opencl/tests/CMakeLists.txt : 929 B
  301. openmm/libraries/irrxml/example/irrxml.sln : 901 B
  302. openmm/plugins/drude/platforms/reference/tests/CMakeLists.txt : 879 B
  303. openmm/plugins/rpmd/platforms/reference/tests/CMakeLists.txt : 876 B
  304. openmm/plugins/cudacompiler/tests/CMakeLists.txt : 844 B
  305. openmm/libraries/irrxml/example/config.xml : 832 B
  306. openmm/platforms/reference/tests/CMakeLists.txt : 796 B
  307. openmm/plugins/cpupme/tests/CMakeLists.txt : 768 B
  308. openmm/serialization/tests/CMakeLists.txt : 718 B
  309. openmm/plugins/amoeba/platforms/reference/tests/CMakeLists.txt : 604 B
  310. openmm/plugins/amoeba/serialization/tests/CMakeLists.txt : 593 B
  311. openmm/plugins/drude/serialization/tests/CMakeLists.txt : 592 B
  312. openmm/libraries/irrxml/example/irrXML.dsw : 563 B
  313. openmm/libraries/irrxml/example/Makefile : 526 B
  314. openmm/libraries/irrxml/doc/readme.txt : 199 B